(3Z,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine

C8H10F3NO — CID 145179777

IUPAC(3Z,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C/C)OC(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-3-7(5-4-6(2)12)13-8(9,10)11/h3-5H,2,12H2,1H3/b5-4-,7-3+
InChIKeyHRCNBIZOECTRHG-SBYNAHCQSA-N
MW193.17 g/mol
LogP2.46
Rot. Bonds3

About (3Z,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine

(3Z,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine (PubChem CID 145179777) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is (3Z,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine
PubChem CID145179777
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name(3Z,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C/C)OC(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-3-7(5-4-6(2)12)13-8(9,10)11/h3-5H,2,12H2,1H3/b5-4-,7-3+
InChIKeyHRCNBIZOECTRHG-SBYNAHCQSA-N
XLogP2.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine?
The IUPAC name of (3Z,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine (CID 145179777) is (3Z,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine?
The canonical SMILES for (3Z,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine is C=C(N)/C=C\C(=C/C)OC(F)(F)F.
What is the InChIKey of (3Z,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine?
The InChIKey is HRCNBIZOECTRHG-SBYNAHCQSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-3-7(5-4-6(2)12)13-8(9,10)11/h3-5H,2,12H2,1H3/b5-4-,7-3+.
What are the key properties of (3Z,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine?
(3Z,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine has a molecular weight of 193.17 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine is sourced from PubChem (CID 145179777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).